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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM456579'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Apelin receptor


(Homo sapiens (Human))		BDBM456579
PNG
(US10736883, Example 16.0)
Show SMILES COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)Cc2ncc(C)cn2)nnc1-c1ccc(C)o1 |r,wD:16.17,(-6.18,-2.72,;-4.85,-3.49,;-3.52,-2.72,;-3.52,-1.18,;-2.18,-.41,;-.85,-1.18,;-.85,-2.72,;.48,-3.49,;1.82,-2.72,;-2.18,-3.49,;-2.18,-5.18,;-.94,-6.08,;.4,-5.31,;1.73,-6.08,;.96,-7.42,;2.5,-7.42,;3.06,-5.31,;3.06,-3.77,;4.4,-6.08,;5.73,-5.31,;7.07,-6.08,;8.4,-5.31,;8.4,-3.77,;9.73,-3,;7.07,-3,;5.73,-3.77,;-1.41,-7.55,;-2.95,-7.55,;-3.43,-6.08,;-4.8,-5.49,;-5.27,-4.03,;-6.81,-4.03,;-7.29,-5.49,;-8.75,-5.97,;-6.04,-6.4,)|
Show InChI InChI=1S/C23H26N6O5S/c1-14-12-24-20(25-13-14)11-16(3)35(30,31)28-23-27-26-22(19-10-9-15(2)34-19)29(23)21-17(32-4)7-6-8-18(21)33-5/h6-10,12-13,16H,11H2,1-5H3,(H,27,28)/t16-/m1/s1
PDB

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PC cid
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US Patent
n/an/an/an/a 0.220n/an/an/an/a



AMGEN INC.

US Patent


Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV-3 expression vector (Sig...

US Patent US10736883 (2020)


BindingDB Entry DOI: 10.7270/Q2JW8HXW
More data for this
Ligand-Target Pair